2-Hydroxy-2-methylpropiophenone supplier

Name
2-Hydroxy-2-methylpropiophenone
EINECS 231-272-0
CAS No. 7473-98-5
Article Data86
CAS DataBase
Density 1.083 g/cm³
Solubility 13.3g/L at 20℃
Melting Point 4 °C
Formula C₁₀H₁₂O₂
Boiling Point 260.8 °C at 760 mmHg
Molecular Weight 164.204
Flash Point 108.2 °C
Transport Information UN 3082
Appearance clear to pale yellow liquid
Safety 23-36/37/39
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms IHT-PI 1173;Irgacure 1173;Runtecure1103;Runtecure 1173;SR 1121;Sarcure 1121;UV 1173;a,a-Dimethyl-a-hydroxyacetophenone;Propiophenone,2-hydroxy-2-methyl- (6CI,7CI,8CI);1-Hydroxy-1-methylethyl phenyl ketone;1-Phenyl-2-hydroxy-2-methyl-1-propanone;2-Hydroxy-2,2-dimethylacetophenone;2-Hydroxy-2-benzoylpropane;2-Hydroxy-2-methyl-1-phenylpropane-1-one;Additol HDMAP;Benacure 1173;Chivacure 173;Ciba 1173;DC1173;Darocur 1173;EM 1173;
PSA 37.30000
LogP 1.64020

Synthetic route

: 39158-85-5
2-methyl-1-phenyl-1-trimethylsiloxy-1-propene

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With oxygen; {[Cu(4,4'bipyridine)(BF4)2(H2O)2](4,4'bipyridine)}n/NH2-MNB In ethanol at 20℃; under 760.051 Torr; for 72h;	99%
Stage #1: 2-methyl-1-phenyl-1-trimethylsiloxy-1-propene With oxygen; [Cu(bpy)(BF4)2(H2O)2(bpy)]n In ethanol; water at 0℃; under 760 Torr; for 24h; Stage #2: With triethyl phosphite In ethanol; water	79%
With tris(dimethylamino)sulfonium trimethylsilyldifluoride; oxygen; triphenylphosphine In tetrahydrofuran at 0 - 5℃; for 2h;	69%
With 3-(4-nitrophenyl)-2-(phenylsulfonyl)-1,2-oxaziridine; tetrabutyl ammonium fluoride 1.) CHCl3, 60 deg C, 1 h, 2.) THF; Yield given. Multistep reaction;

: 55418-35-4
2-Methyl-1-phenyl-2-trimethylsilanyloxy-propan-1-one

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With trifluoroacetic acid In methanol for 2h;	99%

: 7473-99-6
α-chloroisobutyrophenone

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With sodium hydrogencarbonate for 72h; Ambient temperature;	98%
With sodium hydroxide In water	94.8%
With diethyl methylmalonate anion In dimethyl sulfoxide Irradiation;	62%

: 611-70-1
phenyl isopropyl ketone

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With di-tert-butyl peroxide In dichloromethane at 35℃; Temperature; Sonication;	92.36%
With oxygen; sodium hydroxide; sodium sulfite In ethanol at 15℃; for 6h;	91.13%
With oxygen; caesium carbonate; triethyl phosphite In dimethyl sulfoxide at 25℃; under 760.051 Torr; for 24h; Reagent/catalyst; Solvent; Schlenk technique;	90%

: 20907-13-5
2-methyl-1-phenylpropane-1,2-diol

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With sodium hypochlorite; potassium bromide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In water; toluene at 0 - 5℃; for 1.16667h;	87%
With tert.-butylhydroperoxide; tetrabutylammomium bromide In decane; benzene at 40℃; for 24h; Sealed tube; chemoselective reaction;	83%
With bromine In dichloromethane at 20℃; Reagent/catalyst; Large scale;	1562 g
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In acetonitrile at 80℃; for 1h;

: 100-86-7
2-Methyl-1-phenyl-2-propanol

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With hydrogen bromide; dihydrogen peroxide In 1,2-dichloro-ethane at 60℃; for 12h; Irradiation;	85%
Multi-step reaction with 2 steps 1.1: dihydrogen peroxide; hydrogen bromide / 1,2-dichloro-ethane / 8 h / 0 °C / Irradiation 2.1: water / 1 h / 100 °C 2.2: 6 h / Cooling with ice; Irradiation View Scheme

: 67-68-5
dimethyl sulfoxide

: 611-70-1
phenyl isopropyl ketone

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; iodine at 120℃; for 8h;	85%
With dipotassium peroxodisulfate; iodine at 120℃; for 8h;	85%

: 1603-79-8
phenylglyoxylic acid ethyl ester

: 75-16-1
methylmagnesium bromide

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
Stage #1: phenylglyoxylic acid ethyl ester With n-butyllithium; trimethylaluminum; N,O-dimethylhydroxylamine*hydrochloride In tetrahydrofuran; hexane at 0 - 20℃; for 2h; Stage #2: methylmagnesium bromide In tetrahydrofuran; diethyl ether; hexane at 0 - 20℃; for 0.583333h;	84%

: 21020-19-9, 70412-41-8
1-bromo-2-methyl-1-phenylpropan-2-ol

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
Stage #1: 1-bromo-2-methyl-1-phenylpropan-2-ol With water at 100℃; for 1h; Stage #2: With dihydrogen peroxide for 6h; Cooling with ice; Irradiation;	82%

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 108-90-7
chlorobenzene

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
Stage #1: 2-hydroxy-2-methylpropanenitrile With 3,4-dihydro-2H-pyran In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; Stage #2: chlorobenzene With magnesium In tetrahydrofuran; diethyl ether at 20 - 70℃; for 2h; Cooling with ice;	82%

: 98-07-7
Benzotrichlorid

: 67-64-1
acetone

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With magnesium In N,N-dimethyl-formamide at -20 - -10℃; for 2h; Inert atmosphere;	82%

: 7721-20-2
α-Pyrrolidino-β,β-dimethyl styrene

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With N-sulfonyloxaziridine (4a) In tetrahydrofuran; methanol for 0.25h; Ambient temperature;	79%

: 4-Hydroxy-5,5-dimethyl-3,4-diphenyl-oxazolidin-2-one

A: 769-60-8
2-methyl-1-phenylprop-2-en-1-one

B: 7473-98-5
2-hydroxy-2-methylpropiophenone

C: 3155-01-9
3-hydroxy-3-phenyl-butan-2-one

D: 103-71-9
phenyl isocyanate

Conditions

Conditions	Yield
In benzene at 450℃; Further byproducts given;	A 12% B 9% C 24% D 76%

...Expand

: 611-69-8
rac-2-methyl-1-phenylpropan-1-ol

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
Stage #1: rac-2-methyl-1-phenylpropan-1-ol With iodine; acetone In 1,4-dioxane at 20℃; for 0.0833333h; Stage #2: With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In 1,4-dioxane at 80℃; for 24h;	55%

: 61031-52-5
4-hydroxy-3,5,5-trimethyl-4-phenyl-oxazolidin-2-one

A: 769-60-8
2-methyl-1-phenylprop-2-en-1-one

B: 7473-98-5
2-hydroxy-2-methylpropiophenone

C: 3155-01-9
3-hydroxy-3-phenyl-butan-2-one

D: 624-83-9
methyl isocyanate

Conditions

Conditions	Yield
In benzene at 550℃;	A 16% B 5% C 6% D 53%

...Expand

: 108-86-1
bromobenzene

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
Stage #1: 2-hydroxy-2-methylpropanenitrile With 3,4-dihydro-2H-pyran In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; Stage #2: bromobenzene With magnesium In tetrahydrofuran; diethyl ether at 20 - 70℃; for 2h; Cooling with ice;	48%

: 61031-53-6
3-ethyl-4-hydroxy-5,5-dimethyl-4-phenyl-oxazolidin-2-one

A: 769-60-8
2-methyl-1-phenylprop-2-en-1-one

B: 7473-98-5
2-hydroxy-2-methylpropiophenone

C: 3155-01-9
3-hydroxy-3-phenyl-butan-2-one

D: 109-90-0
ethyl isocyanate

Conditions

Conditions	Yield
In benzene at 550℃;	A 41% B 14% C 45% D 44%

...Expand

: 5170-76-3
2-methyl-1-phenyl-1-acetoxy-1-propene

A: 769-60-8
2-methyl-1-phenylprop-2-en-1-one

B: 7473-98-5
2-hydroxy-2-methylpropiophenone

C: 71057-10-8
2-fluoro-2-methyl-1-phenyl-1-propanone

Conditions

Conditions	Yield
With triethylamine tris(hydrogen fluoride) In acetonitrile anodic oxidation;	A 8% B 9% C 44%

...Expand

: 1443-80-7
4-cyanophenyl methyl ketone

: 609-08-5
Diethyl methylmalonate

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide Irradiation; RT., 4 h, 50 deg C, 19 h;	37%

: 5908-41-8
benzoyltrimethylsilane

: 67-64-1
acetone

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran	35%

: 3696-36-4
2-methylmalononitrile

: 7473-99-6
α-chloroisobutyrophenone

A: 7473-98-5
2-hydroxy-2-methylpropiophenone

B: (β-Benzoylisopropyl)(methyl)malononitrile

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide for 68h; Ambient temperature;	A 6% B 32%

...Expand

: C11H13PolS2

: 67-64-1
acetone

A: 769-60-8
2-methyl-1-phenylprop-2-en-1-one

B: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
Stage #1: C11H13PolS2 With n-butyllithium In tetrahydrofuran at -35℃; for 2h; solid phase reaction; Stage #2: acetone In tetrahydrofuran; Petroleum ether at -10℃; solid phase reaction; Stage #3: With mercury(II) perchlorate; water; calcium carbonate In tetrahydrofuran	A 24% B 25%

...Expand

: 61031-55-8
3-cyclohexyl-4-hydroxy-5,5-dimethyl-4-phenyl-oxazolidin-2-one

A: 7473-98-5
2-hydroxy-2-methylpropiophenone

B: 3155-01-9
3-hydroxy-3-phenyl-butan-2-one

C: 3173-53-3
Cyclohexyl isocyanate

D: 2387-23-7
1,3-Dicyclohexylurea

Conditions

Conditions	Yield
In benzene at 550℃; Further byproducts given;	A 6% B 11% C 20% D 20%

...Expand

: 61031-49-0
4-hydroxy-3-isopropyl-5,5-dimethyl-4-phenyl-oxazolidin-2-one

A: 4128-37-4
1,3-diisopropylurea

B: 7473-98-5
2-hydroxy-2-methylpropiophenone

C: 3155-01-9
3-hydroxy-3-phenyl-butan-2-one

D: 1795-48-8
Isopropyl isocyanate

Conditions

Conditions	Yield
In benzene at 550℃; Further byproducts given;	A 9% B 6% C 17% D 17%

...Expand

: 56011-31-5
3-bromo-2-methyl-1-phenylpropan-1-one

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With water; barium carbonate

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With potassium hydroxide; diethyl ether
With sodium hydroxide
Multi-step reaction with 2 steps 1: 37 percent / diethyl ether; ethanol / 1 h / Ambient temperature 2: TsOH / H2O / Heating View Scheme

: 7473-99-6
α-chloroisobutyrophenone

A: 826-55-1
2-methyl-2-phenylpropionic acid

B: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With 1,4-dioxane; silver-salt
With 1,4-dioxane; mercury-salt

: phenylmagnesium bromide

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With diethyl ether Behandeln des Reaktionsgemisches mit wss.H2SO4;

: 13694-96-7
2-methoxy-3,3-dimethyl-2-phenyl-oxirane

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With hydrogenchloride
With copper(l) iodide; tert-butyl alcohol In toluene at 130℃; for 16h; Inert atmosphere;	85 %Spectr.

: 7476-41-7
2-methyl-1-oxo-1-phenylpropan-2-yl acetate

: 7473-98-5
2-hydroxy-2-methylpropiophenone

Conditions

Conditions	Yield
With lithium dimethylcuprate

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 829-08-3
(E)-2-hydroxy-2-methyl-1-phenylpropan-1-one oxime

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; sodium acetate In ethanol; water at 20℃; for 12h;	97%

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 1079-66-9
chloro-diphenylphosphine

: 2-[(diphenylphosphino)oxy]-2-methylpropiophenone

Conditions

Conditions	Yield
With dmap; triethylamine In tetrahydrofuran at 20℃; for 2h;	95%
With dmap; triethylamine In tetrahydrofuran at 20℃; for 2h;	94%
With triethylamine In dichloromethane at 20℃; for 2h; Inert atmosphere;

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 108-24-7
acetic anhydride

: 7476-41-7
2-methyl-1-oxo-1-phenylpropan-2-yl acetate

Conditions

Conditions	Yield
With pyridine at 20℃; Inert atmosphere;	94%
With 1,1,7,7-tetramethyl-9-azajulolidine; triethylamine In dichloromethane at 20℃; for 0.5h; Reagent/catalyst; Inert atmosphere;	85 %Spectr.

: 89894-42-8
1,2-dichlorovinyl phenyl ether

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 1448620-95-8
2-methyl-5-phenoxy-3-phenylpent-4-yne-2,3-diol

Conditions

Conditions	Yield
Stage #1: 1,2-dichlorovinyl phenyl ether With n-butyllithium In diethyl ether; hexane at -78 - -20℃; for 2h; Stage #2: 2-hydroxy-2-methylpropiophenone In diethyl ether; hexane at -78 - 20℃;	93%

: 2739-97-1
pyridine-2-acetonitrile

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 5,5-dimethyl-4-phenyl-3-(pyridin-2-yl)furan-2(5H)-one

Conditions

Conditions	Yield
With copper(l) iodide; water; sodium hydroxide In methanol at 80℃; for 24h; Schlenk technique; Inert atmosphere;	93%

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 28899-97-0
triphenylbismuth(V) diacetate

: 7476-46-2
2-methyl-2-phenoxy-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With copper diacetate; dicyclohexylmethylamine In dichloromethane at 20℃; for 3h;	92%

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 2-((trifluoromethyl)thio)benzo[d]isothiazol-3(2H)-one 1,1-dioxide

: (2-methyl-1-phenyl-2-(((trifluoromethyl)Thio)oxy)propan-1-one)

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 0.0833333h;	90%
With triethylamine In dichloromethane at 20℃; for 0.0833333h;	90%

: 2947-61-7
(4-methylphenyl)acetonitrile

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 5,5-dimethyl-4-phenyl-3-(p-tolyl)furan-2(5H)-one

Conditions

Conditions	Yield
With copper(l) iodide; water; sodium hydroxide In methanol at 80℃; for 24h; Schlenk technique; Inert atmosphere;	90%

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 71057-10-8
2-fluoro-2-methyl-1-phenyl-1-propanone

Conditions

Conditions	Yield
With Nonafluorobutanesulfonyl fluoride; triethylamine tris(hydrogen fluoride); triethylamine In acetonitrile at 95℃; for 9h;	89%

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 140-29-4
phenylacetonitrile

: 21994-87-6
5,5-Dimethyl-3,4-diphenyl-2(5H)-furanone

Conditions

Conditions	Yield
With copper(l) iodide; water; sodium hydroxide In methanol at 80℃; for 24h; Reagent/catalyst; Schlenk technique; Inert atmosphere;	88%

: 19924-43-7
3-methoxyphenylacetonitrile

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 83253-77-4
3-(3-methoxyphenyl)-5,5-dimethyl-4-phenylfuran-2(5H)-one

Conditions

Conditions	Yield
With copper(l) iodide; water; sodium hydroxide In methanol at 80℃; for 24h; Schlenk technique; Inert atmosphere;	88%

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 140-29-4
phenylacetonitrile

A: C18H16O(18)O

B: 21994-87-6
5,5-Dimethyl-3,4-diphenyl-2(5H)-furanone

Conditions

Conditions	Yield
With copper(l) iodide; 18O-labeled water; sodium hydroxide In methanol at 80℃; for 24h; Schlenk technique; Inert atmosphere;	A 87% B 13%

...Expand

: 20893-30-5
2-cyanomethylthiophene

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 83253-79-6
5,5-dimethyl-4-phenyl-3-(thiophen-2-yl)furan-2(5H)-one

Conditions

Conditions	Yield
With copper(l) iodide; water; sodium hydroxide In methanol at 80℃; for 24h; Schlenk technique; Inert atmosphere;	87%

: 617-86-7
triethylsilane

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 2-methyl-2-triethylsiloxypropiophenone

Conditions

Conditions	Yield
With tris(pentafluorophenyl)borate In dichloromethane for 20h; Ambient temperature;	86%
With 2,3-Dihydro-1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene In neat (no solvent) at 50℃; for 12h; Glovebox; Inert atmosphere; Schlenk technique; chemoselective reaction;	42 %Spectr.

: 50-00-0
formaldehyd

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 4'-chloromethyl-2-hydroxy-2-methyl-1-phenyl-1-propan-1-one

Conditions

Conditions	Yield
With aluminum (III) chloride In 1,2-dichloro-ethane at 30 - 35℃; Large scale;	85.6%

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 7035-03-2
2-methoxy-benzeneacetonitrile

: 3-(2-methoxyphenyl)-5,5-dimethyl-4-phenylfuran-2(5H)-one

Conditions

Conditions	Yield
With copper(l) iodide; water; sodium hydroxide In methanol at 80℃; for 24h; Schlenk technique; Inert atmosphere;	85%

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 1456507-49-5
(1r,4r)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanamine

: 1456507-51-9
2-methyl-1-phenyl-1-(((1r,4r)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl)amino)propan-2-ol

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In acetic acid; 1,2-dichloro-ethane at 20℃;	84%

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 814-68-6
acryloyl chloride

: 103658-85-1
2-methyl-1-oxo-1-phenylpropan-2-yl acrylate

Conditions

Conditions	Yield
Stage #1: 2-hydroxy-2-methylpropiophenone With triethylamine In dichloromethane for 0.5h; Inert atmosphere; Stage #2: acryloyl chloride In dichloromethane for 19h; Inert atmosphere;	83%
With triethylamine In 1,4-dioxane; ice-water
With triethylamine In dichloromethane for 12.5h; Inert atmosphere;
Stage #1: 2-hydroxy-2-methylpropiophenone With triethylamine In dichloromethane at 20℃; for 0.166667h; Stage #2: acryloyl chloride In dichloromethane at 20℃; for 8h; Cooling with ice;

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 5704-66-5
pyruvoyl chloride

: methyl (2-methyl-1-oxo-1-phenylpropan-2-yl) oxalate

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;	83%

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 3282-30-2
pivaloyl chloride

: 1196070-16-2
2-methyl-1-oxo-1-phenylpropan-2-yl pivalate

Conditions

Conditions	Yield
With pyridine at 25℃; Inert atmosphere;	82%

2-Hydroxy-2-methylpropiophenone Specification

The 2-Hydroxy-2-methylpropiophenone, with the CAS registry number 7473-98-5,is also known as IHT-PI 1173; UV 1173. It belongs to the product categories of Industrial/Fine Chemicals;Additives for Plastic;Functional Materials.Its EINECS number is 231-272-0. This chemical's molecular formula is C₁₀H₁₂O₂ and molecular weight is 164.20. What's more,Its systematic name is 2-Hydroxy-2-methylpropiophenone.It is harmful if swallowed .When you use it ,wear suitable protective clothing, gloves and eye/face protection and do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).

Physical properties about 2-Hydroxy-2-methylpropiophenone are:
(1)ACD/LogP: 1.485; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 7.92; (6)ACD/BCF (pH 7.4): 7.92; (7)ACD/KOC (pH 5.5): 153.12; (8)ACD/KOC (pH 7.4): 153.12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.533; (13)Molar Refractivity: 47.047 cm3; (14)Molar Volume: 151.532 cm3; (15)Surface Tension: 41.1749992370605 dyne/cm; (16)Density: 1.084 g/cm3; (17)Flash Point: 108.157 °C; (18)Enthalpy of Vaporization: 52.667 kJ/mol; (19)Boiling Point: 260.795 °C at 760 mmHg; (20)Vapour Pressure: 0.00600000005215406 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(c1ccccc1)C(O)(C)C;
(2)Std. InChI:InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3;
(3)Std. InChIKey:XMLYCEVDHLAQEL-UHFFFAOYSA-N.

The toxicity data of 2-Hydroxy-2-methylpropiophenone are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	824mg/kg (824mg/kg)		National Technical Information Service. Vol. OTS0556311,
rat	LD50	oral	1694mg/kg (1694mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LIVER: OTHER CHANGES	National Technical Information Service. Vol. OTS0556311,
rat	LD50	skin	6929mg/kg (6929mg/kg)		National Technical Information Service. Vol. OTS0556311,

Product Name

2-Hydroxy-2-methylpropiophenone

Synthetic route

2-Hydroxy-2-methylpropiophenone Specification

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